Geometry & MOs

Info

ID:	285421
PubChem CID:	104104319
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-49.52
Dipole, Da:	3.69
IP(EA), eV:	-9.22(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxazinan-2-yl)-4-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N2CCCCO2

DOS

IR

Vibrations